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1H-Pyrazole-3-carboxylicacid， 5-[4-(trifluoromethyl)phenyl]-， ethyl ester - ≥95%, high purity , CAS No.639784-60-4

COA

Grade & Purity:

≥95%

Cas Number: 639784-60-4
PubChem CID: 45790237

In stock

Item Number

H732625

Grouped product items
SKU	Size	Availability	Price
H732625-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90
H732625-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$202.90
H732625-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$637.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Trifluoromethylbenzenes Pyrazole carboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Trifluoromethylbenzene - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	ethyl 3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
INCHI	InChI=1S/C13H11F3N2O2/c1-2-20-12(19)11-7-10(17-18-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3,(H,17,18)
InChIKey	UFCMHAIKTZLMJW-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C(F)(F)F
Isomeric SMILES	CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C(F)(F)F
Alternate CAS	639784-60-4
PubChem CID	45790237

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	284.230 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	284.077 Da
Monoisotopic Mass	284.077 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	341.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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